Structure of PDB 7odh Chain S Binding Site BS04

Receptor Information
>7odh Chain S (length=267) Species: 381666 (Cupriavidus necator H16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPRTPVLWLHGLECTCCSESFIRSAHPLAKDVVLSMISLDYDDTLMAAAG
HQAEAILEEIMTKYKGNYILAVEGNPPLNQDGMSCIIGGRPFIEQLKYVA
KDAKAIISWGSCASWGCVQAAKPNPTQATPVHKVITDKPIIKVPGCPPIA
EVMTGVITYMLTFDRIPELDRQGRPKMFYSQRIHDKCYRRPHFDAGQFVE
EWDDESARKGFCLYKMGCKGPTTYNACSTTRWNEGTSFCIQSGHGCIGCS
EDGFWDKGSFYDRLTGI
Ligand information
Ligand IDF4S
InChIInChI=1S/4Fe.3S
InChIKeyQQACTBFBZNWJMV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3
CACTVS 3.370[Fe]|1|2|S3[Fe]S|1[Fe]S|2[Fe]3
FormulaFe4 S3
NameFE4-S3 CLUSTER;
T-CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7odh Chain S Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7odh Resonance Raman spectroscopic analysis of the iron-sulfur cluster redox chain of the Ralstonia eutropha membrane-bound [NiFe]-hydrogenase
Resolution1.34 Å
Binding residue
(original residue number in PDB)		C17 T18 C19 C20 S114 C115 C120 C149
Binding residue
(residue number reindexed from 1)		C14 T15 C16 C17 S111 C112 C117 C146
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008901 ferredoxin hydrogenase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
Cellular Component
GO:0005886 plasma membrane
GO:0009375 ferredoxin hydrogenase complex
GO:0016020 membrane
GO:0044569 [Ni-Fe] hydrogenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7odh, PDBe:7odh, PDBj:7odh
PDBsum7odh
PubMed
UniProtP31892|MBHS_CUPNH Uptake hydrogenase small subunit (Gene Name=hoxK)

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